Vitas-M small molecule compound
(5E)-1-(4-ethoxyphenyl)-5-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189458
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)F)N2CCCC2)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H22FN3O3S MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O3S/c1-2-30-17-8-6-16(7-9-17)27-22(29)18(21(28)25-23(27)31)13-15-5-10-20(19(24)14-15)26-11-3-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,28,31)/b18-13+InChIKey
IZHGERQOEQNNMD-QGOAFFKASA-NSynonyms
(5E)1(4ETHOXYPHENYL)5((3FLUORO4PYRROLIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4ETHOXYPHENYL)5(3FLUORO4(PYRROLIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)F)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)F)N2CCCC2)C1=O
InChI=1SC23H22FN3O3Sc1230178616(7917)2722(29)18(21(28)2523(27)31)131551020(19(24)1415)2611341226h5101314H241112H21H3(H252831)b1813+
MFCD03994195
ZINC000001131623
ZINC01131623
ZINC1131623
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